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Information card for entry 2012028
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| Coordinates | 2012028.cif |
|---|---|
| Structure factors | 2012028.hkl |
| Original IUCr paper | HTML |
| Chemical name | 4-Nitraminopyridinium methanesulphonate |
|---|---|
| Formula | C6 H9 N3 O5 S |
| Calculated formula | C6 H9 N3 O5 S |
| SMILES | S(=O)(=O)([O-])C.[nH+]1ccc(cc1)NN(=O)=O |
| Title of publication | 1-Methyl-4-nitraminopyridinium nitrate and 4-nitraminopyridinium methanesulfonate |
| Authors of publication | Zaleski, Jacek; Daszkiewicz, Zdzisław; Kyzioł, Janusz B. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 6 |
| Pages of publication | 754 - 757 |
| a | 11.824 ± 0.002 Å |
| b | 8.138 ± 0.002 Å |
| c | 20.125 ± 0.004 Å |
| α | 90° |
| β | 97.36 ± 0.03° |
| γ | 90° |
| Cell volume | 1920.5 ± 0.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.038 |
| Residual factor for significantly intense reflections | 0.033 |
| Weighted residual factors for all reflections included in the refinement | 0.099 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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Users of the data should acknowledge the original authors of the
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